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1,7,11-tris(p-tolylsulfonyl)-1,4,7,11-tetraazacyclotetradecane-4-acetamide

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1,7,11-tris(p-tolylsulfonyl)-1,4,7,11-tetraazacyclotetradecane-4-acetamide
SpectraBase Compound ID 5GxQWPzXLAF
InChI InChI=1S/C33H45N5O7S3/c1-27-6-12-30(13-7-27)46(40,41)36-18-4-20-37(47(42,43)31-14-8-28(2)9-15-31)24-22-35(26-33(34)39)23-25-38(21-5-19-36)48(44,45)32-16-10-29(3)11-17-32/h6-17H,4-5,18-26H2,1-3H3,(H2,34,39)
InChIKey NDGWLHOPMKOVFR-UHFFFAOYSA-N
Mol Weight 719.9 g/mol
Molecular Formula C33H45N5O7S3
Exact Mass 719.248112 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbSxve2XsIS
Name 1,7,11-tris(p-tolylsulfonyl)-1,4,7,11-tetraazacyclotetradecane-4-acetamide
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H45N5O7S3
InChI InChI=1S/C33H45N5O7S3/c1-27-6-12-30(13-7-27)46(40,41)36-18-4-20-37(47(42,43)31-14-8-28(2)9-15-31)24-22-35(26-33(34)39)23-25-38(21-5-19-36)48(44,45)32-16-10-29(3)11-17-32/h6-17H,4-5,18-26H2,1-3H3,(H2,34,39)
InChIKey NDGWLHOPMKOVFR-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 32054M
Solvent Polysol